TRIPTOLIDE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 19ALD1S53J

Structure
InChI Key DFBIRQPKNDILPW-CIVMWXNOSA-N
Smile CC(C)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13[C@@H]2O
InChI
InChI=1S/C20H24O6/c1-8(2)18-13(25-18)14-20(26-14)17(3)5-4-9-10(7-23-15(9)21)11(17)6-12-19(20,24-12)16(18)22/h8,11-14,16,22H,4-7H2,1-3H3/t11-,12-,13-,14-,16+,17-,18-,19+,20+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H24O6
Molecular Weight 360.41
AlogP 1.1
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 84.12
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 26.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 30900-30900 - - -
Enzyme Oxidoreductase
- 40 - - -
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Protease-activated receptor Protease-activated receptor
- 14-23 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Infections 3 D007239 ClinicalTrials
Polycystic Kidney, Autosomal Dominant 3 D016891 ClinicalTrials
HIV Infections 1 D015658 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 38748-32-2
ChEBI 9747
ChEMBL CHEMBL463763
DrugBank DB12025
EPA CompTox DTXSID5041144
FDA SRS 19ALD1S53J
KEGG C09204
PubChem 107985
SureChEMBL SCHEMBL413634
ZINC ZINC000008234271
CONTENTS